Geometry & MOs

Info

ID:	243216
PubChem CID:	99217049
Reduced:	O3N5C24H27 (1)
Stoich.:	A3B5C24D27 (1)
Weight, g/mol:	497.196214
ΔH_f, kcal/mol:	-74.19
Dipole, Da:	3.02
IP(EA), eV:	-8.58(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2S)-2-[[3-(2-ethoxy-2-oxoethoxy)benzoyl]amino]-2-[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]acetate

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)CC2=CC(=CC=C2)NC(=O)CCNC(=O)C3=CNC4=CC=CC=C43)C(=O)N

DOS

IR

Vibrations